Simplicity is crucial to design optimization at nanoscale

February 4, 2009

This figures illustrates the different arrangements of alpha-helical protein filaments and their schematic representation in the Buehler/Ackbarow model. Credit: Image / Markus Buehler, MIT

MIT researchers who study the structure of protein-based materials with the aim of learning the key to their lightweight and robust strength have discovered that the particular arrangement of proteins that produces the sturdiest product is not the arrangement with the most built-in redundancy or the most complicated pattern. Instead, the optimal arrangement of proteins in the rope-like structures they studied is a repeated pattern of two stacks of four bundled alpha-helical proteins.

This composition of two repeated hierarchies (stacks and bundles) provides great strength—the ability to withstand mechanical pressure without giving way—and great robustness—the ability to perform mechanically, even if flawed. Because the alpha-helical protein serves as the building block of many common materials, understanding the properties of those materials has been the subject of intense scientific inquiry since the protein's discovery in the 1940s.

In a paper published in the Jan. 27 online issue of Nanotechnology, Markus Buehler and Theodor Ackbarow describe a model of the protein's performance, based on molecular dynamics simulations. With their model they tested the strength and robustness of four different combinations of eight alpha-helical proteins: a single stack of eight proteins, two stacks of four bundled proteins, four stacks of two bundled proteins, and double stacks of two bundled proteins. Their molecular models replicate realistic molecular behavior, including hydrogen bond formation in the coiled spring-like alpha-helical proteins.

"The traditional way of designing materials is to consider properties at the macro level, but a more efficient way of materials' design is to play with the structural makeup at the nanoscale," said Buehler, the Esther and Harold E. Assistant Professor in the Department of Civil and Environmental Engineering. "This provides a new paradigm in engineering that enables us to design a new class of materials."

More and more frequently, natural protein materials are being used as inspiration for the design of synthetic materials that are based on nanowires and carbon nanotubes, which can be made to be much stronger than biological materials. The work of Buehler and Ackbarow, a graduate student at the Max Planck Institute of Colloids and Interfaces in Potsdam, Germany, demonstrates that by rearranging the same number of nanoscale elements into hierarchies, the performance of a material can be radically changed. This could eliminate the need to invent new materials for different applications.

In a follow-up study, Buehler and MIT graduate students Zhao Qin and Steve Cranford ran similar tests using more than 16,000 elements instead of eight. They found that 98 percent of the randomly arranged rope-like structures did not meet the optimal performance level of the self-assembled natural molecules, which made up the other 2 percent of the structures. The most successful of those again utilized the bundles of four alpha-helical proteins.

That analysis shows that random arrangements of elements typically lead to inferior performance, and may explain why many engineered materials are not yet capable of combining disparate properties such as robustness and strength.

"Only a few specific nanostructured arrangements provide the basis for optimal material performance, and this must be incorporated in the material design process," said Buehler.

(Phys.org)—Stuart Kauffman, from the University of Calgary, and several of his colleagues have recently published a paper on the Arxiv server titled 'Quantum Criticality at the Origins of Life'. The idea of a quantum criticality, ...

In 2013, James E. Rothman, Randy W. Schekman, and Thomas C. Südhof won the Nobel Prize in Physiology or Medicine for their discoveries of molecular machineries for vesicle trafficking, a major transport system in cells for ...

Legions of viruses that infect the leaves of tobacco plants could be the key to making power plants safer, heating and cooling of buildings more efficient, and electronics more powerful. These tiny protein bundles, which ...

MIT biological engineers have created a new computer model that allows them to design the most complex three-dimensional DNA shapes ever produced, including rings, bowls, and geometric structures such as icosahedrons that ...

Theoretical physicists are caricatured in the popular imagination as only involved in abstruse and difficult-to-imagine topics. But some of these theoretical physicists are involved in something closer to home: using artificial ...

Recommended for you

Scientists have been making nanoparticles for more than two decades in two-dimensional sheets, three-dimensional crystals and random clusters. But they have never been able to get a sheet of nanoparticles to curve or fold ...

Serendipity has as much a place in science as in love. That's what Northeastern physicists Swastik Kar and Srinivas Sridhar found during their four-year project to modify graphene, a stronger-than-steel infinitesimally thin ...

Graphene has been called a wonder material, capable of performing great and unusual material acrobatics. Boron nitride nanotubes are no slackers in the materials realm either, and can be engineered for physical and biological ...

(Phys.org)—Currently, all light-emitting diodes (LEDs) emit light of only one color, which is predefined during fabrication. So far, tuning the color of light produced by a single LED has never been realized, despite numerous ...

When it comes to installing solar cells, labor cost and the cost of the land to house them constitute the bulk of the expense. The solar cells—made often of silicon or cadmium telluride—rarely cost more than 20 percent ...

A team of researchers from Berkeley Lab and Columbia University has passed a major milestone in molecular electronics with the creation of the world's highest-performance single-molecule diode. Working at Berkeley Lab's Molecular ...

0 comments

Please sign in to add a comment.
Registration is free, and takes less than a minute.
Read more

Click here to reset your password.
Sign in to get notified via email when new comments are made.